Tricycloalternarene 2a
TL;DR: Tricycloalternarene 2a (CAS 103873-60-5) is a chemical compound with molecular formula C21H30O4 and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-1-[(E)-7-hydroxy-6-methylhept-5-en-2-yl]-3a-methyl-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one
Also Known As: Tricycloalternarene 2a, 13-hydroxy-6-(7-hydroxy-6-methylhept-5-en-2-yl)-3-methyl-2-oxatricyclo[7.4.0.03,7]trideca-1(9),5-dien-10-one, 3,3a,5,6,9,9a-Hexahydro-1-(1,5-dimethyl-6-hydroxy-4-hexenyl)-3a-methyl-5-hydroxycyclopenta[b][1]benzopyran-8(7H)-one, 3,3a,6,7,9,9a-hexahydro-5-hydroxy-1[(e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a-methylcyclopenta[b]chromen-8(5h)-one, 5-hydroxy-1-[(E)-7-hydroxy-6-methylhept-5-en-2-yl]-3a-methyl-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 3.4445 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 642.2815 |
Chemical Identifiers
| CAS Number | 103873-60-5 |
|---|---|
| SMILES | CC(CC/C=C(\C)/CO)C1=CCC2(C1CC3=C(O2)C(CCC3=O)O)C |
Product Overview
Tricycloalternarene 2a (CAS 103873-60-5), with molecular formula C21H30O4 and molecular weight 346.21 g/mol. IUPAC: 5-hydroxy-1-[(E)-7-hydroxy-6-methylhept-5-en-2-yl]-3a-methyl-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one.
Chemical Property Profile of Tricycloalternarene 2a
Property Insights of Tricycloalternarene 2a
The XLogP value of 3.4445 indicates that Tricycloalternarene 2a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Tricycloalternarene 2a. Following Lipinski's Rule of Five, Tricycloalternarene 2a has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tricycloalternarene 2a?
The CAS number of Tricycloalternarene 2a is 103873-60-5.
What is the molecular formula of Tricycloalternarene 2a?
The molecular formula of Tricycloalternarene 2a is C21H30O4.
What is the molecular weight of Tricycloalternarene 2a?
The molecular weight of Tricycloalternarene 2a is 346.21 g/mol.
Where can I buy Tricycloalternarene 2a?
You can request a quote for Tricycloalternarene 2a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tricycloalternarene 2a?
Yes, KEHONG BIO provides custom synthesis services for Tricycloalternarene 2a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.